@<TRIPOS>MOLECULE
BindingDB_18784
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        90.1345   11.5425   36.9869  C     
2    C        90.2302   11.8770   35.6173  C     
3    C        89.1634   12.5234   34.9505  C     
4    C        87.9852   12.8116   35.6864  C     
5    C        87.8846   12.4669   37.0447  C     
6    C        88.9560   11.8356   37.6959  C     
7    C        89.2552   12.9026   33.5788  C     
8    C        88.4622   12.2717   32.5811  C     
9    C        89.4703   13.5719   30.8740  C     
10   C        90.1471   13.9247   33.1323  C     
11   N        87.5703   11.2934   32.8325  N     
12   N        89.6320   13.8925   29.5809  N     
13   N        88.5975   12.6193   31.2729  N     
14   N        90.2132   14.2028   31.8031  N     
15   C        91.0698   14.7230   33.9872  C     
16   C        90.8108   16.2479   33.9567  C     
17   Cl       91.4313   10.8096   37.7887  Cl    
18   H        91.0903   11.6624   35.1081  H     
19   H        87.2025   13.2939   35.2395  H     
20   H        87.0306   12.6833   37.5696  H     
21   H        88.8780   11.6021   38.6886  H     
22   H        87.0828   10.9066   32.0940  H     
23   H        87.4112   10.9703   33.7307  H     
24   H        90.3017   14.5501   29.3227  H     
25   H        89.1156   13.4349   28.8982  H     
26   H        91.0129   14.3596   35.0191  H     
27   H        92.1063   14.5817   33.6736  H     
28   H        90.9189   16.6312   32.9401  H     
29   H        91.5390   16.7589   34.5985  H     
30   H        89.8027   16.4690   34.3287  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   17 1
     4    2    3 2
     5    3    4 1
     6    3    7 1
     7    4    5 2
     8    5    6 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   15 1
    18   15   16 1
    19    2   18 1
    20    4   19 1
    21    5   20 1
    22    6   21 1
    23   11   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   15   26 1
    28   15   27 1
    29   16   28 1
    30   16   29 1
    31   16   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3373
  Crash		| -0.4054
  Polar		| 2.9617
  FragIndex	| 1
  FragRMSD	| 0.297